2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine

C19H17F2N7 — CID 163522607

IUPAC2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine
SMILESCc1cc(F)cn2c(-c3ncc(N)c(N[C@@H](C)c4ccc(F)cn4)n3)cnc12
InChIInChI=1S/C19H17F2N7/c1-10-5-13(21)9-28-16(8-25-19(10)28)18-24-7-14(22)17(27-18)26-11(2)15-4-3-12(20)6-23-15/h3-9,11H,22H2,1-2H3,(H,24,26,27)/t11-/m0/s1
InChIKeyDMCYTURWWFWJSB-NSHDSACASA-N
MW381.39 g/mol
LogP3.53
Rot. Bonds4

About 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine

2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine (PubChem CID 163522607) has the molecular formula C19H17F2N7 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine
PubChem CID163522607
Molecular FormulaC19H17F2N7
Molecular Weight381.39 g/mol
Exact Mass381.15
IUPAC Name2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine
SMILESCc1cc(F)cn2c(-c3ncc(N)c(N[C@@H](C)c4ccc(F)cn4)n3)cnc12
InChIInChI=1S/C19H17F2N7/c1-10-5-13(21)9-28-16(8-25-19(10)28)18-24-7-14(22)17(27-18)26-11(2)15-4-3-12(20)6-23-15/h3-9,11H,22H2,1-2H3,(H,24,26,27)/t11-/m0/s1
InChIKeyDMCYTURWWFWJSB-NSHDSACASA-N
XLogP3.53
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine with MolForge

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Related Compounds

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Glu-P 1
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Adipiplon
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Miransertib
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SB-220025
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PF-4708671
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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine (CID 163522607) is 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine is Cc1cc(F)cn2c(-c3ncc(N)c(N[C@@H](C)c4ccc(F)cn4)n3)cnc12.
What is the InChIKey of 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine?
The InChIKey is DMCYTURWWFWJSB-NSHDSACASA-N. The full InChI is InChI=1S/C19H17F2N7/c1-10-5-13(21)9-28-16(8-25-19(10)28)18-24-7-14(22)17(27-18)26-11(2)15-4-3-12(20)6-23-15/h3-9,11H,22H2,1-2H3,(H,24,26,27)/t11-/m0/s1.
What are the key properties of 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine?
2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine has a molecular weight of 381.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 163522607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).